Geometry & MOs

Info

ID:

394243

PubChem CID:

135022613

Reduced:

S2O7C24H24 (1)

Stoich.:

A2B7C24D24 (1)

Weight, g/mol:

624.290762

ΔHf, kcal/mol:

-241.47

Dipole, Da:

8.84

IP(EA), eV:

 -8.49(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-[(2R)-2-[3-[5-[ethoxycarbonyl-(ethoxycarbonylamino)amino]cyclopent-2-en-1-yl]-2-(1H-imidazol-2-yl)phenyl]cyclopent-3-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCOC3=CC=CC=C23)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations